General Information of the Compound
| Compound ID |
CP0458420
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| Compound Name |
1-benzyl-3-[4-(4-tert-butylanilino)quinazolin-6-yl]thiourea
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| Structure |
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| Formula |
C26H27N5S
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| Molecular Weight |
441.604
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| Canonical SMILES |
CC(C)(C)c1ccc(Nc2ncnc3ccc(NC(=S)NCc4ccccc4)cc23)cc1
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| InChI |
InChI=1S/C26H27N5S/c1-26(2,3)19-9-11-20(12-10-19)30-24-22-15-21(13-14-23(22)28-17-29-24)31-25(32)27-16-18-7-5-4-6-8-18/h4-15,17H,16H2,1-3H3,(H2,27,31,32)(H,28,29,30)
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| InChIKey |
OCGFYZMQHNXSQF-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound